2,3-Dichloroisonicotinic acid

Base Information

• Chemical Name: 2,3-Dichloroisonicotinic acid
• CAS No.: 184416-84-0
• Molecular Formula: C6H3Cl2NO2
• Molecular Weight: 192.001
• Hs Code.: 2933399090
• European Community (EC) Number: 687-435-5
• DSSTox Substance ID: DTXSID90939835
• Nikkaji Number: J1.537.719D
• Wikidata: Q72466590
• Mol file: 184416-84-0.mol

Synonyms:2,3-Dichloroisonicotinic acid;184416-84-0;2,3-dichloropyridine-4-carboxylic Acid;MFCD01861977;2,3-DICHLORO-4-PYRIDINECARBOXYLIC ACID;2,3-Dichloroisonicotinicacid;SCHEMBL83616;126305-70-2;DICHLOROISONICOTINIC ACID;2,3-Dichloro-isonicotinic acid;DTXSID90939835;VGKZZKKTZKRCPA-UHFFFAOYSA-N;CS-D0897;AKOS005070802;4-Pyridinecarboxylicacid,2,3-dichloro-;2,3-dichloro-pyridine-4-carboxylic acid;AC-27885;SY018383;A4083;AM20070214;FT-0609538;2,3-Dichloropyridine-4-carboxylic acid, 97%;EN300-103477;6Z-0225;J-506933;Z1255461768

Chemical Property of 2,3-Dichloroisonicotinic acid

Chemical Property:

• Vapor Pressure: 1.4E-07mmHg at 25°C
• Melting Point: 187 °C
• Refractive Index: 1.605
• Boiling Point: 413.576 °C at 760 mmHg
• PKA: 1.46±0.28(Predicted)
• Flash Point: 203.924 °C
• PSA: 50.19000
• Density: 1.612 g/cm³
• LogP: 2.08660
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 190.9540837
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

2,3-DichloroisonicotinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C(=C1C(=O)O)Cl)Cl

Technology Process of 2,3-Dichloroisonicotinic acid

There total 3 articles about 2,3-Dichloroisonicotinic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

2,3-dichloro-pyridine (2402-77-9) + carbon dioxide (124-38-9,18923-20-1) → 2,3-dichloroisonicotinic acid (184416-84-0)

Guidance literature:

2,3-dichloro-pyridine; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -75 ℃; for 2h;

carbon dioxide; at -78 ℃;

DOI:10.1002/1099-0690(200104)2001:7<1371::AID-EJOC1371>3.0.CO;2-E

Reference yield: 83.0%

carbon dioxide (124-38-9,18923-20-1) → 2,3-dichloroisonicotinic acid (184416-84-0)

Guidance literature:

2,3-dichloro-pyridine; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 2h;

carbon dioxide; In tetrahydrofuran; hexane; for 1h;

With hydrogenchloride; In tetrahydrofuran; hexane; water; pH=1;

Reference yield:

2,3-dichloroisonicotinonitrile (184416-82-8) → 2,3-dichloroisonicotinic acid (184416-84-0)

Guidance literature:

With hydrogenchloride; In water;

upstream raw materials:

2,3-dichloro-pyridine

carbon dioxide

2,3-dichloroisonicotinonitrile

Downstream raw materials:

methyl 2,3-dichloroisonicotinate

Refernces

• 1、 -. "PYRIMIDONE COMPOUND". Page/Page column 123. . Retrieved 2008/06/13.
• 2、 -. "Pyridine compounds which are useful as pesticides". . . Retrieved 2008/06/13.